%chk=000094302.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094302

0 1
 O  -7.6499999E-02   1.738600       2.273000    
 O   -2.727500      0.2037000      0.3058000    
 O    3.895900       3.044700      -1.127700    
 O    2.821300       1.291200      -2.094600    
 O   -4.790900       1.173500      0.6234000    
 N    1.493400      0.6369000      0.1560000    
 C   8.6499996E-02  0.9279000      1.2000001E-03
 C  -0.6514000      0.8267000       1.336300    
 C   -2.143700       1.123000       1.224000    
 C    1.963900     -0.6817000      0.2139000    
 C    2.433300       1.755400      0.2386000    
 C    3.332800     -0.9385000      0.3508000    
 C    1.069200      -1.755100      0.1350000    
 C    3.054700       1.980200      -1.110100    
 C    3.800900      -2.251300      0.4078000    
 C    1.537300      -3.067700      0.1920000    
 C    2.903200      -3.315900      0.3285000    
 C   -4.068300      0.3401000      9.5299996E-02
 C   -4.533500     -0.6842000     -0.8809000    
 C   -3.563900      -1.661800      -1.471000    
 C   -5.836800     -0.6857000      -1.197200    
 H  -0.3719000      0.3059000     -0.7764000    
 H  -2.5699999E-02   1.954900     -0.3731000    
 H  -0.5395000     -0.1775000       1.759200    
 H   -2.299700       2.152000      0.8766000    
 H   -2.617500       1.024700       2.208300    
 H    1.895400       2.675300      0.4995000    
 H    3.195500       1.618000       1.011300    
 H    4.084200     -0.1586000      0.4079000    
 H  -2.4000001E-03  -1.628300      2.3000000E-02
 H   0.8416000       1.457700       2.425800    
 H    4.864600      -2.445600      0.5115000    
 H   0.8391000      -3.897400      0.1288000    
 H    3.267800      -4.338000      0.3719000    
 H    4.289700       3.185200      -2.015100    
 H   -4.051000      -2.350400      -2.170000    
 H   -3.099600      -2.265400     -0.6842000    
 H   -2.775900      -1.137200      -2.021400    
 H   -6.237100      -1.407300      -1.902600    
 H   -6.543300      1.9800000E-02 -0.7731000    


%chk=000094302-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094302

0 1
O -0.209157 1.771012 2.406282
O -2.787849 0.225677 0.300711
O 4.050315 2.823075 -1.113522
O 2.339721 1.686677 -2.211186
O -4.789367 1.413649 0.376472
N 1.519070 0.591324 0.382535
C 0.081395 0.830637 0.129934
C -0.748830 0.803170 1.436177
C -2.198276 1.237274 1.217146
C 2.056405 -0.720631 0.311518
C 2.407367 1.743406 0.281934
C 3.463699 -0.942778 0.218733
C 1.202330 -1.864066 0.357240
C 2.889896 2.036258 -1.149712
C 3.986423 -2.252381 0.185815
C 1.739422 -3.166310 0.314671
C 3.134739 -3.378302 0.234391
C -4.131179 0.435938 -0.053556
C -4.620137 -0.639730 -0.978106
C -3.666115 -1.739387 -1.396536
C -5.915083 -0.558188 -1.391711
H -0.317766 0.097399 -0.592766
H -0.031294 1.828376 -0.331723
H -0.734275 -0.217819 1.870306
H -2.261748 2.239143 0.755170
H -2.759512 1.252325 2.166764
H 1.870430 2.646618 0.627249
H 3.290877 1.641030 0.935197
H 4.162947 -0.103667 0.153301
H 0.117129 -1.746394 0.428228
H 0.708500 1.472293 2.636550
H 5.071535 -2.388539 0.111546
H 1.056575 -4.023141 0.350067
H 3.545816 -4.392393 0.205682
H 4.328194 3.056086 -2.041063
H -4.166389 -2.454028 -2.071483
H -3.285664 -2.290254 -0.517545
H -2.783528 -1.323883 -1.915646
H -6.346058 -1.304888 -2.067112
H -6.556358 0.263211 -1.053950


